SCHEMBL17294161

SCHEMBL17294161

O=C1NC(=O)C(Cc2ccco2)(NO)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.39
EPHX2 P34913 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36
APEX1 P27695 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1641879 0.72 MAPT (0.36) DNMT1TDP1ALDH1A1KMT2AMEN1
SCHEMBL17294164 0.69 MMP2 (0.43) ALDH1A1POLBMAPTMMP2RECQL
SCHEMBL17294183 0.69 NPC1 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL17294152 0.68 ATM (0.47) ALDH1A1L3MBTL1CYP2C19RAB9A
Furfuryl Alcohol SCHEMBL21810895 0.65 GSK3A (0.41) DNMT1EPHX2TDP1ALDH1A1KMT2A
SCHEMBL17294160 0.65 MMP2 (0.53) L3MBTL1MMP2
SCHEMBL17294138 0.64 LMNA (0.50) ALDH1A1MMP2HSD17B10
SCHEMBL17294177 0.64 HDAC1 (0.46) ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL6421403 0.64 TSHR (0.46) EPHX2TDP1ALDH1A1KMT2APOLB
Furfuryl Alcohol SCHEMBL1436757 0.62 ALDH1A1 (0.47) EPHX2TDP1ALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148983-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS The Johns Hopkins University (US) 2017-04-05 EP claimed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US claimed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US claimed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO claimed
EP-3148983-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS The Johns Hopkins University (US) 2017-04-05 EP disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES TNNT2, TNNI3, TNNC1 DNMT1 4498/4885EPHX2 2209/4885TDP1 2623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.